SCHEMBL4965220

SCHEMBL4965220

Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(C(O)C(C)C)cs1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.56
HSD17B1 P14061 2/20 0.56
HSD17B2 P37059 2/20 0.56
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
SLC40A1 Q9NP59 1/20 0.45
EDNRB P24530 2/20 0.45
EDNRA P25101 2/20 0.45
CCR4 P51679 1/20 0.43
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4962530 0.91 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL5911634 0.89 HSD11B1 (0.57) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4962601 0.86 HSD11B1 (0.53) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4965450 0.86 HSD11B1 (0.63) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4963106 0.86 HSD11B1 (0.63) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4966732 0.85 HSD11B1 (0.54) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4964163 0.85 HSD11B1 (0.59) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4963087 0.84 HSD11B1 (0.52) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4967532 0.84 HSD11B1 (0.53) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4966918 0.83 HSD11B1 (0.51) HSD11B1HSD17B1HSD17B2KDM1AMAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP claimed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO claimed
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP disclosed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO disclosed